Information card for entry 8105194

Structure parameters

• Formula: C16 H20 N4 Ni O14
• Calculated formula: C16 H16 N4 Ni O14
• Title of publication: Crystal structure of [diaqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4 N,N′,O,O′]nickel(II)] tetrahydrate, C16H12N4NiO10·4H2O
• Authors of publication: Liu, Xu; Meng, Xiang-Ru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 249 - 251
• a: 7.1945 ± 0.0002 Å
• b: 16.1805 ± 0.0004 Å
• c: 17.7912 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2071.08 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No